7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

C23H42 — CID 144732645

IUPAC7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESC/C=C(/C)C1(C)CCC2C(CCC)C(CCC)CCC2C1CC
InChIInChI=1S/C23H42/c1-7-11-18-13-14-21-20(19(18)12-8-2)15-16-23(6,17(5)9-3)22(21)10-4/h9,18-22H,7-8,10-16H2,1-6H3/b17-9-
InChIKeyDMZSFERSRGARBG-MFOYZWKCSA-N
MW318.59 g/mol
LogP7.64
Rot. Bonds6

About 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (PubChem CID 144732645) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
PubChem CID144732645
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESC/C=C(/C)C1(C)CCC2C(CCC)C(CCC)CCC2C1CC
InChIInChI=1S/C23H42/c1-7-11-18-13-14-21-20(19(18)12-8-2)15-16-23(6,17(5)9-3)22(21)10-4/h9,18-22H,7-8,10-16H2,1-6H3/b17-9-
InChIKeyDMZSFERSRGARBG-MFOYZWKCSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(7-ethyl-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl)propan-2-one
CID 171642699
(3Z)-7-(2,2-difluoroethyl)-3-ethylidene-3a-methyl-6-propyl-2,4,5,5a,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene;methane
CID 144732611
7-butyl-1,4,10a-trimethyl-8-propyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-1H-phenanthrene;methane;prop-1-ene
CID 155752491
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
N,N'-diamino-N-[2-(7-ethyl-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl)-2-oxoethyl]methanimidamide
CID 144966353
1-(7-ethyl-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl)-2-piperazin-1-ylethanone
CID 144732787
(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
(3R,3aS,5aR,6S,7S,9aR,9bS)-3-(1-bromopropan-2-yl)-3a-methyl-7-(3-methylbutyl)-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene
CID 146659406
7-(2-fluoroethyl)-3-(3-methoxypropyl)-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene
CID 171642758
N,N'-diamino-N-[2-[7-(2-fluoroethyl)-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethyl]methanimidamide;ethane;methanol
CID 144966397
1-[2-[(3S,3aS,6S,7S,9aR)-7-ethyl-3a-methyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 174293091
3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane
CID 142612800

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The IUPAC name of 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (CID 144732645) is 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.
What is the SMILES notation for 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The canonical SMILES for 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is C/C=C(/C)C1(C)CCC2C(CCC)C(CCC)CCC2C1CC.
What is the InChIKey of 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The InChIKey is DMZSFERSRGARBG-MFOYZWKCSA-N. The full InChI is InChI=1S/C23H42/c1-7-11-18-13-14-21-20(19(18)12-8-2)15-16-23(6,17(5)9-3)22(21)10-4/h9,18-22H,7-8,10-16H2,1-6H3/b17-9-.
What are the key properties of 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene has a molecular weight of 318.59 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-but-2-en-2-yl]-8-ethyl-7-methyl-3,4-dipropyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 144732645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).