(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane

C24H46 — CID 163674453

IUPAC(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1(CC)CC(C(CC(C)C)C(CCC)CCCC)[C@@H](C)C1
InChIInChI=1S/C24H46/c1-9-12-14-21(13-10-2)22(15-18(4)5)23-17-24(11-3,19(6)7)16-20(23)8/h18,20-23H,6,9-17H2,1-5,7-8H3/t20-,21?,22?,23?,24?/m0/s1
InChIKeyJFKXPXBKPNFARB-KVDPVTCVSA-N
MW334.63 g/mol
LogP8.27
Rot. Bonds11

About (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane

(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane (PubChem CID 163674453) has the molecular formula C24H46 and a molecular weight of 334.63 g/mol. Its IUPAC name is (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane.

Molecular Properties

Compound Name(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane
PubChem CID163674453
Molecular FormulaC24H46
Molecular Weight334.63 g/mol
Exact Mass334.36
IUPAC Name(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1(CC)CC(C(CC(C)C)C(CCC)CCCC)[C@@H](C)C1
InChIInChI=1S/C24H46/c1-9-12-14-21(13-10-2)22(15-18(4)5)23-17-24(11-3,19(6)7)16-20(23)8/h18,20-23H,6,9-17H2,1-5,7-8H3/t20-,21?,22?,23?,24?/m0/s1
InChIKeyJFKXPXBKPNFARB-KVDPVTCVSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane with MolForge

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Related Compounds

alpha-Fenchene
CID 28930
I2-Araneosene
CID 11701776
Cycloaraneosene
CID 14165900
(1S,4R)-7,7-Dimethyl-2-methylenebicyclo(2.2.1)heptane
CID 12309838
(4R,5S,7R)-4-methyl-10-methylidene-7-prop-1-en-2-ylspiro[4.5]decane
CID 15491228
fusoxypene C
CID 163358932
Talarodiene
CID 165368732
(1S,2E,5R,6S,9S,11E,16R)-2,9,12,16-tetramethyl-6-propan-2-yltricyclo[13.3.0.05,9]octadeca-2,11,14-triene
CID 170988206
(1R,3S,4S,7R)-1,4,8,13,13-pentamethyltricyclo[9.4.0.03,7]pentadeca-8,11-diene
CID 170989433
(1S,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene
CID 53320357
(-)-Spirolepechinene
CID 42608181
7,7-Dimethyl-2-methylenenorbornane
CID 10887972

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane?
The IUPAC name of (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane (CID 163674453) is (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane.
What is the SMILES notation for (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane?
The canonical SMILES for (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane is C=C(C)C1(CC)CC(C(CC(C)C)C(CCC)CCCC)[C@@H](C)C1.
What is the InChIKey of (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane?
The InChIKey is JFKXPXBKPNFARB-KVDPVTCVSA-N. The full InChI is InChI=1S/C24H46/c1-9-12-14-21(13-10-2)22(15-18(4)5)23-17-24(11-3,19(6)7)16-20(23)8/h18,20-23H,6,9-17H2,1-5,7-8H3/t20-,21?,22?,23?,24?/m0/s1.
What are the key properties of (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane?
(3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane has a molecular weight of 334.63 g/mol, XLogP of 8.27, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-methyl-4-(2-methyl-5-propylnonan-4-yl)-1-prop-1-en-2-ylcyclopentane is sourced from PubChem (CID 163674453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).