2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol

C15H24O — CID 162502704

IUPAC2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol
SMILESC=C(CO)C1=C[C@]2(C)[C@@H](CCC[C@H]2C)CC1
InChIInChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h9,12,14,16H,1,4-8,10H2,2-3H3/t12-,14+,15+/m1/s1
InChIKeySWSFFHOIQMBJAS-SNPRPXQTSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds2

About 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol

2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol (PubChem CID 162502704) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol
PubChem CID162502704
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol
SMILESC=C(CO)C1=C[C@]2(C)[C@@H](CCC[C@H]2C)CC1
InChIInChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h9,12,14,16H,1,4-8,10H2,2-3H3/t12-,14+,15+/m1/s1
InChIKeySWSFFHOIQMBJAS-SNPRPXQTSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol?
The IUPAC name of 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol (CID 162502704) is 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol?
The canonical SMILES for 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol is C=C(CO)C1=C[C@]2(C)[C@@H](CCC[C@H]2C)CC1.
What is the InChIKey of 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol?
The InChIKey is SWSFFHOIQMBJAS-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h9,12,14,16H,1,4-8,10H2,2-3H3/t12-,14+,15+/m1/s1.
What are the key properties of 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol?
2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8R,8aS)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 162502704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).