(3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene

C14H22 — CID 143295241

IUPAC(3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene
SMILESC=C1CCC[C@]2(C)C(CCC)=CCC12
InChIInChI=1S/C14H22/c1-4-6-12-8-9-13-11(2)7-5-10-14(12,13)3/h8,13H,2,4-7,9-10H2,1,3H3/t13?,14-/m1/s1
InChIKeyFWFHSWWPZJEEBA-ARLHGKGLSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds2

About (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene

(3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene (PubChem CID 143295241) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name(3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene
PubChem CID143295241
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene
SMILESC=C1CCC[C@]2(C)C(CCC)=CCC12
InChIInChI=1S/C14H22/c1-4-6-12-8-9-13-11(2)7-5-10-14(12,13)3/h8,13H,2,4-7,9-10H2,1,3H3/t13?,14-/m1/s1
InChIKeyFWFHSWWPZJEEBA-ARLHGKGLSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
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

(8R,9S,10S,13S,14S)-10,13-dimethyl-17-propyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 148919868
(8aS)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalene
CID 91746469
1-[(2-ethyl-2-hydroxybutyl)sulfanylmethyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 143286978
(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 143095761
(3aS,7E)-3,3a-dimethyl-7-[(Z)-3-methylhept-2-enylidene]-4,5,6,7a-tetrahydro-1H-indene
CID 143086886
(4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
CID 102519765
trans-(1S,3R,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(5E)-5-methoxyimino-6,6-dimethylheptyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 89365241
(1R,3aS,7aR)-1-[(2S)-hexan-2-yl]-7a-methyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 58992535
(3aS)-1,7a-dimethyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142040574
3,3,4,4-tetramethyl-1-propylcyclobutene
CID 134993494
N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
CID 11085067
1-[(1S)-3-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1,5-dihydroxy-4-methylidenecyclohexyl]oxy-3-methylbutane-2-thione
CID 91114191

Frequently Asked Questions

What is the IUPAC name of (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene?
The IUPAC name of (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene (CID 143295241) is (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene.
What is the SMILES notation for (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene?
The canonical SMILES for (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene is C=C1CCC[C@]2(C)C(CCC)=CCC12.
What is the InChIKey of (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene?
The InChIKey is FWFHSWWPZJEEBA-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H22/c1-4-6-12-8-9-13-11(2)7-5-10-14(12,13)3/h8,13H,2,4-7,9-10H2,1,3H3/t13?,14-/m1/s1.
What are the key properties of (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene?
(3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3a-methyl-7-methylidene-3-propyl-4,5,6,7a-tetrahydro-1H-indene is sourced from PubChem (CID 143295241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).