(4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene

C19H30 — CID 142233554

IUPAC(4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene
SMILESC=C1C=C2C(CCCC=C(C)C)CC[C@H](C)C2CC1
InChIInChI=1S/C19H30/c1-14(2)7-5-6-8-17-11-10-16(4)18-12-9-15(3)13-19(17)18/h7,13,16-18H,3,5-6,8-12H2,1-2,4H3/t16-,17?,18?/m0/s1
InChIKeyGKOHOJHJTURYML-AOCRQIFASA-N
MW258.45 g/mol
LogP6.06
Rot. Bonds4

About (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene

(4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene (PubChem CID 142233554) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name(4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene
PubChem CID142233554
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name(4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene
SMILESC=C1C=C2C(CCCC=C(C)C)CC[C@H](C)C2CC1
InChIInChI=1S/C19H30/c1-14(2)7-5-6-8-17-11-10-16(4)18-12-9-15(3)13-19(17)18/h7,13,16-18H,3,5-6,8-12H2,1-2,4H3/t16-,17?,18?/m0/s1
InChIKeyGKOHOJHJTURYML-AOCRQIFASA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S,4aS)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
CID 23426589
(1R,4S,4aR)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
CID 10750739
(5R,8R)-2,5-dimethyl-8-(5-methylhex-4-enyl)-5,6,7,8-tetrahydronaphthalene-1,4-dione;methane
CID 165025307
1-ethenyl-5-(5-methylhex-4-enyl)cyclopentene
CID 11636969
(2S)-2-(5-methylhex-4-enyl)oxirane
CID 102089561
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665
(6E,10S)-7-methyl-10-(5-methylhex-4-enyl)-3,4,5,8,9,10-hexahydrocyclonona[c]furan-1-one
CID 163041881
acetaldehyde;(3R,4R)-3,4-dimethyl-1-(4-methylpent-3-enyl)cyclohexene
CID 142081315
(2R,3R,4S,5R)-2-[2-[(1R,4aS,8aR)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-6-methylhept-5-enoxy]oxane-3,4,5-triol
CID 101218486
(2S,3R,4S,5R)-2-[[2-hydroxy-5-(5-methylhex-4-enyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]oxane-3,4,5-triol
CID 25136791
1,6-dimethyl-3-methylidenecycloheptene
CID 165016233

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The IUPAC name of (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene (CID 142233554) is (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene.
What is the SMILES notation for (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The canonical SMILES for (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene is C=C1C=C2C(CCCC=C(C)C)CC[C@H](C)C2CC1.
What is the InChIKey of (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
The InChIKey is GKOHOJHJTURYML-AOCRQIFASA-N. The full InChI is InChI=1S/C19H30/c1-14(2)7-5-6-8-17-11-10-16(4)18-12-9-15(3)13-19(17)18/h7,13,16-18H,3,5-6,8-12H2,1-2,4H3/t16-,17?,18?/m0/s1.
What are the key properties of (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene?
(4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene has a molecular weight of 258.45 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-(5-methylhex-4-enyl)-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene is sourced from PubChem (CID 142233554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).